2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene

C254H360Cl4F4N4O11S2 — CID 160525301

IUPAC2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene
SMILESCC(=O)NCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(Cl)c1Cl.CC(C)(C)c1cccc(NS(C)(=O)=O)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccc2cccnc12.CC(C)Oc1ccccc1C(C)(C)C.CCOc1cccc(C(C)(C)C)c1.CCc1ccc(C(C)(C)C)cc1.CCc1ccc(F)cc1C(C)(C)C.CN(C)Cc1ccccc1C(C)(C)C.COc1cc(C(C)(C)C)cc(OC)c1OC.CS(=O)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C)c(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H19NO.C13H15N.C13H21N.C13H20O3.C13H20O.C12H17F.C12H14O.C12H18O.3C12H18.C11H15Cl.2C11H15F.C11H17NO2S.C11H16OS.2C11H16.C10H12Cl2.C10H13Cl.C10H13F.C10H14O/c1-10(15)14-9-11-5-7-12(8-6-11)13(2,3)4;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-9-7-6-8-11(12)10-14(4)5;1-13(2,3)9-7-10(14-4)12(16-6)11(8-9)15-5;1-10(2)14-12-9-7-6-8-11(12)13(3,4)5;1-5-9-6-7-10(13)8-11(9)12(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-5-13-11-8-6-7-10(9-11)12(2,3)4;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-6-7-10(2)11(8-9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-6-5-7-10(8-9)12-15(4,13)14;1-11(2,3)9-5-7-10(8-6-9)13(4)12;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)7-5-4-6-8(11)9(7)12;2*1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8/h5-8H,9H2,1-4H3,(H,14,15);4-9H,1-3H3;6-9H,10H2,1-5H3;7-8H,1-6H3;6-10H,1-5H3;6-8H,5H2,1-4H3;4-8H,1-3H3;6-9H,5H2,1-4H3;2*6-8H,1-5H3;6-9H,5H2,1-4H3;3*5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7,11H,1-3H3
InChIKeyQUUPVQMBBDOSTI-UHFFFAOYSA-N
MW3927.63 g/mol
LogP73.74
Rot. Bonds16

About 2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene

2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene (PubChem CID 160525301) has the molecular formula C254H360Cl4F4N4O11S2 and a molecular weight of 3927.63 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene
PubChem CID160525301
Molecular FormulaC254H360Cl4F4N4O11S2
Molecular Weight3927.63 g/mol
Exact Mass3922.59
IUPAC Name2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene
SMILESCC(=O)NCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(Cl)c1Cl.CC(C)(C)c1cccc(NS(C)(=O)=O)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccc2cccnc12.CC(C)Oc1ccccc1C(C)(C)C.CCOc1cccc(C(C)(C)C)c1.CCc1ccc(C(C)(C)C)cc1.CCc1ccc(F)cc1C(C)(C)C.CN(C)Cc1ccccc1C(C)(C)C.COc1cc(C(C)(C)C)cc(OC)c1OC.CS(=O)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C)c(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C
InChIInChI=1S/C13H19NO.C13H15N.C13H21N.C13H20O3.C13H20O.C12H17F.C12H14O.C12H18O.3C12H18.C11H15Cl.2C11H15F.C11H17NO2S.C11H16OS.2C11H16.C10H12Cl2.C10H13Cl.C10H13F.C10H14O/c1-10(15)14-9-11-5-7-12(8-6-11)13(2,3)4;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-9-7-6-8-11(12)10-14(4)5;1-13(2,3)9-7-10(14-4)12(16-6)11(8-9)15-5;1-10(2)14-12-9-7-6-8-11(12)13(3,4)5;1-5-9-6-7-10(13)8-11(9)12(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-5-13-11-8-6-7-10(9-11)12(2,3)4;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-6-7-10(2)11(8-9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-6-5-7-10(8-9)12-15(4,13)14;1-11(2,3)9-5-7-10(8-6-9)13(4)12;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)7-5-4-6-8(11)9(7)12;2*1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8/h5-8H,9H2,1-4H3,(H,14,15);4-9H,1-3H3;6-9H,10H2,1-5H3;7-8H,1-6H3;6-10H,1-5H3;6-8H,5H2,1-4H3;4-8H,1-3H3;6-9H,5H2,1-4H3;2*6-8H,1-5H3;6-9H,5H2,1-4H3;3*5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7,11H,1-3H3
InChIKeyQUUPVQMBBDOSTI-UHFFFAOYSA-N
XLogP73.74
TPSA187.99 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms279
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003927.63
LogP ≤ 573.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene?
The IUPAC name of 2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene (CID 160525301) is 2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene.
What is the SMILES notation for 2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene?
The canonical SMILES for 2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene is CC(=O)NCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(F)cc1.CC(C)(C)c1cccc(Cl)c1Cl.CC(C)(C)c1cccc(NS(C)(=O)=O)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1cccc2cccnc12.CC(C)Oc1ccccc1C(C)(C)C.CCOc1cccc(C(C)(C)C)c1.CCc1ccc(C(C)(C)C)cc1.CCc1ccc(F)cc1C(C)(C)C.CN(C)Cc1ccccc1C(C)(C)C.COc1cc(C(C)(C)C)cc(OC)c1OC.CS(=O)c1ccc(C(C)(C)C)cc1.Cc1cc(C(C)(C)C)ccc1Cl.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(F)ccc1C(C)(C)C.Cc1ccc(C(C)(C)C)c(C)c1.Cc1ccc(C)c(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene?
The InChIKey is QUUPVQMBBDOSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C13H15N.C13H21N.C13H20O3.C13H20O.C12H17F.C12H14O.C12H18O.3C12H18.C11H15Cl.2C11H15F.C11H17NO2S.C11H16OS.2C11H16.C10H12Cl2.C10H13Cl.C10H13F.C10H14O/c1-10(15)14-9-11-5-7-12(8-6-11)13(2,3)4;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-9-7-6-8-11(12)10-14(4)5;1-13(2,3)9-7-10(14-4)12(16-6)11(8-9)15-5;1-10(2)14-12-9-7-6-8-11(12)13(3,4)5;1-5-9-6-7-10(13)8-11(9)12(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-5-13-11-8-6-7-10(9-11)12(2,3)4;1-9-6-7-11(10(2)8-9)12(3,4)5;1-9-6-7-10(2)11(8-9)12(3,4)5;1-5-10-6-8-11(9-7-10)12(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-8-7-9(12)5-6-10(8)11(2,3)4;1-8-7-9(11(2,3)4)5-6-10(8)12;1-11(2,3)9-6-5-7-10(8-9)12-15(4,13)14;1-11(2,3)9-5-7-10(8-6-9)13(4)12;1-9-6-5-7-10(8-9)11(2,3)4;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)7-5-4-6-8(11)9(7)12;2*1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8/h5-8H,9H2,1-4H3,(H,14,15);4-9H,1-3H3;6-9H,10H2,1-5H3;7-8H,1-6H3;6-10H,1-5H3;6-8H,5H2,1-4H3;4-8H,1-3H3;6-9H,5H2,1-4H3;2*6-8H,1-5H3;6-9H,5H2,1-4H3;3*5-7H,1-4H3;5-8,12H,1-4H3;5-8H,1-4H3;2*5-8H,1-4H3;4-6H,1-3H3;2*4-7H,1-3H3;4-7,11H,1-3H3.
What are the key properties of 2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene?
2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene has a molecular weight of 3927.63 g/mol, XLogP of 73.74, 16 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzofuran;1-tert-butyl-4-chlorobenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-2,3-dichlorobenzene;1-tert-butyl-2,4-dimethylbenzene;2-tert-butyl-1,4-dimethylbenzene;1-tert-butyl-3-ethoxybenzene;1-tert-butyl-4-ethylbenzene;2-tert-butyl-1-ethyl-4-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-fluoro-2-methylbenzene;4-tert-butyl-1-fluoro-2-methylbenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylsulfinylbenzene;3-tert-butylphenol;1-(2-tert-butylphenyl)-N,N-dimethylmethanamine;N-(3-tert-butylphenyl)methanesulfonamide;N-[(4-tert-butylphenyl)methyl]acetamide;1-tert-butyl-2-propan-2-yloxybenzene;8-tert-butylquinoline;5-tert-butyl-1,2,3-trimethoxybenzene is sourced from PubChem (CID 160525301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).